N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide

C15H18N2O3S — CID 2148369

IUPACN-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)c1
InChIInChI=1S/C15H18N2O3S/c1-9-4-5-10(2)12(6-9)16-13(18)7-17-14(19)8-21-11(3)15(17)20/h4-6,11H,7-8H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyWNOINSIYVSRSET-NSHDSACASA-N
MW306.39 g/mol
LogP1.73
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide

N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide (PubChem CID 2148369) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
PubChem CID2148369
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)c1
InChIInChI=1S/C15H18N2O3S/c1-9-4-5-10(2)12(6-9)16-13(18)7-17-14(19)8-21-11(3)15(17)20/h4-6,11H,7-8H2,1-3H3,(H,16,18)/t11-/m0/s1
InChIKeyWNOINSIYVSRSET-NSHDSACASA-N
XLogP1.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-3,5-dioxothiomorpholin-4-yl)-N-(3-methylphenyl)acetamide
CID 3530495
N-(3-chloro-4-methylphenyl)-2-(2-methyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 4550903
N-(2-fluorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148379
N-(2-methoxyphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148399
N-(3,4-dichlorophenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148393
N-(2,4-dimethylphenyl)-2-(2,4-dioxo-1,3-thiazolidin-3-yl)acetamide
CID 4910885
2-[(2R,6S)-2,6-diethyl-3,5-dioxothiomorpholin-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 2148314
2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2148419
N-(2,5-dimethylphenyl)-2-(3-hydroxyazetidin-1-yl)acetamide
CID 63282334
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2,5-dimethylphenyl)-2-[3-oxo-6-(piperidine-1-carbonyl)-1,4-benzothiazin-4-yl]acetamide
CID 50777229
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785701

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide (CID 2148369) is N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide is Cc1ccc(C)c(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide?
The InChIKey is WNOINSIYVSRSET-NSHDSACASA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-9-4-5-10(2)12(6-9)16-13(18)7-17-14(19)8-21-11(3)15(17)20/h4-6,11H,7-8H2,1-3H3,(H,16,18)/t11-/m0/s1.
What are the key properties of N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(2S)-2-methyl-3,5-dioxothiomorpholin-4-yl]acetamide is sourced from PubChem (CID 2148369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).